CID 108639

Ethyl 3,4-dihydroquinoline-1(2h)-carboxylate

Structural Information

Molecular Formula
C12H15NO2
SMILES
CCOC(=O)N1CCCC2=CC=CC=C21
InChI
InChI=1S/C12H15NO2/c1-2-15-12(14)13-9-5-7-10-6-3-4-8-11(10)13/h3-4,6,8H,2,5,7,9H2,1H3
InChIKey
YQBRPZBLROENTD-UHFFFAOYSA-N
Compound name
ethyl 3,4-dihydro-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

205.11028 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 145.1
[M+Na]+ 228.099498 151.6
[M-H]- 204.103004 147.6
[M+NH4]+ 223.144103 163.8
[M+K]+ 244.073438 149.4
[M+H-H2O]+ 188.107540 138.0
[M+HCOO]- 250.108481 164.0
[M+CH3COO]- 264.124131 185.0
[M+Na-2H]- 226.084946 151.1
[M]+ 205.10973142 144.2
[M]- 205.11082858 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe